4-(4-decoxyperoxybutoxy)butan-1-amine

C18H39NO4 — CID 87469347

IUPAC4-(4-decoxyperoxybutoxy)butan-1-amine
SMILESCCCCCCCCCCOOOCCCCOCCCCN
InChIInChI=1S/C18H39NO4/c1-2-3-4-5-6-7-8-10-17-21-23-22-18-13-12-16-20-15-11-9-14-19/h2-19H2,1H3
InChIKeySNEFOYMLTBYMMA-UHFFFAOYSA-N
MW333.51 g/mol
LogP4.54
Rot. Bonds20

About 4-(4-decoxyperoxybutoxy)butan-1-amine

4-(4-decoxyperoxybutoxy)butan-1-amine (PubChem CID 87469347) has the molecular formula C18H39NO4 and a molecular weight of 333.51 g/mol. Its IUPAC name is 4-(4-decoxyperoxybutoxy)butan-1-amine.

Molecular Properties

Compound Name4-(4-decoxyperoxybutoxy)butan-1-amine
PubChem CID87469347
Molecular FormulaC18H39NO4
Molecular Weight333.51 g/mol
Exact Mass333.29
IUPAC Name4-(4-decoxyperoxybutoxy)butan-1-amine
SMILESCCCCCCCCCCOOOCCCCOCCCCN
InChIInChI=1S/C18H39NO4/c1-2-3-4-5-6-7-8-10-17-21-23-22-18-13-12-16-20-15-11-9-14-19/h2-19H2,1H3
InChIKeySNEFOYMLTBYMMA-UHFFFAOYSA-N
XLogP4.54
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4-nonoxybutan-1-amine
CID 139664551
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503
3-dodecoxypropan-1-amine;hydrobromide
CID 173075424
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139598207
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
1-butoxyperoxynonane
CID 90110144
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710

Frequently Asked Questions

What is the IUPAC name of 4-(4-decoxyperoxybutoxy)butan-1-amine?
The IUPAC name of 4-(4-decoxyperoxybutoxy)butan-1-amine (CID 87469347) is 4-(4-decoxyperoxybutoxy)butan-1-amine.
What is the SMILES notation for 4-(4-decoxyperoxybutoxy)butan-1-amine?
The canonical SMILES for 4-(4-decoxyperoxybutoxy)butan-1-amine is CCCCCCCCCCOOOCCCCOCCCCN.
What is the InChIKey of 4-(4-decoxyperoxybutoxy)butan-1-amine?
The InChIKey is SNEFOYMLTBYMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO4/c1-2-3-4-5-6-7-8-10-17-21-23-22-18-13-12-16-20-15-11-9-14-19/h2-19H2,1H3.
What are the key properties of 4-(4-decoxyperoxybutoxy)butan-1-amine?
4-(4-decoxyperoxybutoxy)butan-1-amine has a molecular weight of 333.51 g/mol, XLogP of 4.54, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-decoxyperoxybutoxy)butan-1-amine is sourced from PubChem (CID 87469347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).